독일 Max-Planck-Institute for Iron Research, Post-Doc/
- Ab initio based thermodynamics and kinetics
- Scale-bridging computer simulations
- Surface science and defect physics
- Theory on Li-ion battery and fuel cell technology
(1) “Molecule‐Driven Shape Control of Metal Co‐Catalysts for Selective CO2 Conversion Photocatalysis,” ChemCatChem 10, 5679 (2018).
(2) “Role of Heteronuclear Interactions in Selective H2 Formation from HCOOH Decomposition on Bimetallic Pd/M (M = Late Transition FCC Metal) Catalysts,” ACS Catalysis 7, 2553 (2017).
(3) “Impact of d-band occupancy and lattice contraction on selective hydrogen production from formic acid in the bimetallic Pd3M(M=earlytransition3dmetals)catalysts,”ACS Catalysis 6, 134-142 (2016).
(4) “Effects of carbohydrates on the hydrodeoxygenation of lignin-derived phenolic compounds,” ACS Catalysis 5, 433 (2015).
(5) “Ordering phenomena and formation of nanostructures in InxGa1-xNlayerscoherentlygrownonGaN(0001),”Physical Review B 90, 245301 (2014).
화공시스템시뮬레이션연구실에서는 양자화학 시뮬레이션을 활용하여 에너지저장시스템과 청정에너지시스템 효율 개선에 필요한 이론적 토대를 제공하기 위한 기초연구를 수행하고 있습니다.